1-(2-aminonaphthalen-1-yl)naphthalen-2-amine

• ChemBase编号: 139649
• 分子式: C20H16N2
• 平均质量: 284.35444
• 单一同位素质量: 284.13134852
• SMILES: c1ccc2c(c1)ccc(c2c1c2ccccc2ccc1N)N
• Canonical SMILES: Nc1ccc2c(c1c1c(N)ccc3c1cccc3)cccc2
• InChI: InChI=1S/C20H16N2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12H,21-22H2
• InChIKey: DDAPSNKEOHDLKB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine
• IUPAC传统名: 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine
• 别名: (R)-(+)-1,1′-联(2-萘胺); (R)-(+)-1,1′-联萘-2,2′-二胺; (R)-(+)-2,2′-二氨基-1,1′-联萘; (R)-(+)-1,1′-联萘-2,2′-二胺; (S)-(-)-1,1′-联(2-萘胺); (S)-(-)-1,1′-联萘-2,2′-二胺; (S)-(-)-2,2′-二氨基-1,1′-联萘; (S)-(-)-1,1′-联萘-2,2′-二胺; (S)-(-)-1,1'-二(2-萘胺); (R)-(+)-1,1'-联(2-萘胺); ( )-1,1'-双(2-萘胺); 1,1′-联萘-2,2′-二胺; (S)-(-)-1,1′-联(2-萘胺); (R)-(+)-1,1′-联(2-萘胺); (R)-(+)-DABN; (R)-(+)-1,1′-Bi(2-naphthylamine); (R)-(+)-1,1′-Binaphthalene-2,2′-diamine; (R)-(+)-2,2′-Diamino-1,1′-binaphthalene; (R)-(+)-1,1′-Binaphthyl-2,2′-diamine; (S)-(-)-DABN; (S)-(-)-1,1′-Bi(2-naphthylamine); (S)-(-)-1,1′-Binaphthalene-2,2′-diamine; (S)-(-)-2,2′-Diamino-1,1′-binaphthalene; (S)-(-)-1,1′-Binaphthyl-2,2′-diamine; (S)-BINAM; (S)-(-)-2,2'-Diamino-1,1'-binaphthyl; (S)-(-)-1,1'-Bi(2-naphthylamine); (R)-BINAM; (R)-(+)-2,2'-Diamino-1,1'-binaphthyl; (R)-(+)-1,1'-Bi(2-naphthylamine); (R)-[1,1'-Binaphthalene]-2,2'-diamine; (S)-(-)-1,1'-Binaphthyl-2,2'-diamine; (1,1'-biNaphthalene)-2,2'-diamine; (r)-(+)-2,2'-diamino-1,1'-biNaphthalene; (s)-(-)-2,2'-diamino-1,1'-biNaphthalene; ( )-1,1'-Binaphthyl-2,2'-diamine; ( )-BINAM; ( )-1,1'-Bi(2-naphthylamine); 1,1′-Binaphthyl-2,2′-diamine; (S)-(-)-1,1′-Bi(2-naphthylamine); (R)-(+)-1,1′-Bi(2-naphthylamine)

登记号

• CAS号: 18741-85-0; 4488-22-6; 18531-95-8
• EC号: 000-000-0
• MDL号: MFCD00145204
• Beilstein号: 5279621; 2419071
• PubChem SID: 24859701; 24863894; 24882434; 24863896; 24859700; 162233897
• PubChem CID: 20571

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 3.9269788
• LogD (pH = 7.4): 3.9413865
• Log P: 3.9415727
• 摩尔折射率: 93.4954 cm^3
• 极化性: 38.99884 Å^3
• 极化表面积: 52.04 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: slightly beige
• 熔点: 188-193°C; 238-242°C; 240-242 °C; 240-243 °C; 240-244 °C(lit.); 242-243°C; 242-244 °C(lit.)
• 比旋光度: [α]20/D +156±2°, c = 1% in pyridine; [α]20/D +157°, c = 1 in pyridine; [α]20/D -156±2°, c = 1% in pyridine; [α]20/D -157°, c = 1 in pyridine

安全信息

• RTECS编号: DU3090000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-41; 36/37/38
• 安全公开号: 26-36; 26-37; 26-39
• TSCA收录: 否
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger; Warning
• GHS危险声明: H302-H318; H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥99.5% (sum of enantiomers, HPLC); 96%; 97%; 99%
• 级别: for chiral derivatization
• 光学纯度: ee: 99% (HPLC); enantiomeric ratio: ≥99.5:0.5 (HPLC)
• 线性分子式: H2NC10H6C10H6NH2
• Empirical Formula (Hill Notation): C20H16N2

详细说明

Sigma Aldrich - 382426

Caution
储存时颜色可能变深。
包装
1 g in glass bottle
Application
1,1′-联萘-2,2′-二胺衍生物已用于不对称氢化反应、1环丙烷化反应、2,3以及手性内酯的形成。3,4,5

Sigma Aldrich - 631698

包装
1 g in glass bottle

Sigma Aldrich - 382434

包装
1 g in glass bottle
250 mg in glass bottle
Application
用于合成手性内酯。1

Sigma Aldrich - 32787

Other Notes
制备 N-烷基化衍生物以及用作手性助剂1,2；该二胺的酰胺可发生非对映选择性反应3